(2R)-2-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]-3-phenylpropanoic acid

C15H22N2O4 — CID 104902445

IUPAC(2R)-2-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]-3-phenylpropanoic acid
SMILESCN(CC(C)(C)O)C(=O)N[C@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C15H22N2O4/c1-15(2,21)10-17(3)14(20)16-12(13(18)19)9-11-7-5-4-6-8-11/h4-8,12,21H,9-10H2,1-3H3,(H,16,20)(H,18,19)/t12-/m1/s1
InChIKeyMACYXRLNSLGFHR-GFCCVEGCSA-N
MW294.35 g/mol
LogP1.09
Rot. Bonds6

About (2R)-2-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]-3-phenylpropanoic acid

(2R)-2-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]-3-phenylpropanoic acid (PubChem CID 104902445) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is (2R)-2-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]-3-phenylpropanoic acid
PubChem CID104902445
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name(2R)-2-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]-3-phenylpropanoic acid
SMILESCN(CC(C)(C)O)C(=O)N[C@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C15H22N2O4/c1-15(2,21)10-17(3)14(20)16-12(13(18)19)9-11-7-5-4-6-8-11/h4-8,12,21H,9-10H2,1-3H3,(H,16,20)(H,18,19)/t12-/m1/s1
InChIKeyMACYXRLNSLGFHR-GFCCVEGCSA-N
XLogP1.09
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[methyl(propyl)carbamoyl]amino]-3-phenylpropanoic acid
CID 104902324
(2S)-2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]-3-phenylpropanoic acid
CID 61198806
2-(dipropylcarbamoylamino)-3-phenylpropanoic acid
CID 3396310
2-[(2-amino-2-methylpropanoyl)amino]-3-phenylpropanoic acid
CID 61265643
(2S)-2-[[benzyl(methyl)carbamoyl]amino]-3-phenylpropanoate
CID 6956673
3-[(2R)-1-(4-fluorophenyl)propan-2-yl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea
CID 97223641
(2S)-2-[[methyl-[2-[methyl(morpholine-4-carbonyl)amino]ethyl]carbamoyl]amino]-3-phenylpropanoic acid
CID 14996791
2-(2,2-dimethylbutanoylamino)-3-phenylpropanoic acid
CID 55102814
2-[[benzyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 61183896
(2R)-2-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107828313
(2S)-2-[[benzyl-[(2-methylpropan-2-yl)oxycarbonylamino]carbamoyl]amino]-3-phenylpropanoic acid
CID 18651118
(2S)-2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-3-phenylpropanoic acid
CID 61174366

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]-3-phenylpropanoic acid?
The IUPAC name of (2R)-2-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]-3-phenylpropanoic acid (CID 104902445) is (2R)-2-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]-3-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]-3-phenylpropanoic acid?
The canonical SMILES for (2R)-2-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]-3-phenylpropanoic acid is CN(CC(C)(C)O)C(=O)N[C@H](Cc1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]-3-phenylpropanoic acid?
The InChIKey is MACYXRLNSLGFHR-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-15(2,21)10-17(3)14(20)16-12(13(18)19)9-11-7-5-4-6-8-11/h4-8,12,21H,9-10H2,1-3H3,(H,16,20)(H,18,19)/t12-/m1/s1.
What are the key properties of (2R)-2-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]-3-phenylpropanoic acid?
(2R)-2-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]-3-phenylpropanoic acid has a molecular weight of 294.35 g/mol, XLogP of 1.09, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]-3-phenylpropanoic acid is sourced from PubChem (CID 104902445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).